10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine

C25H19N3 — CID 166778824

IUPAC10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine
SMILESNN1c2ccccc2Cc2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C25H19N3/c26-28-22-12-6-4-8-17(22)14-18-15-25-21(16-24(18)28)20-11-5-7-13-23(20)27(25)19-9-2-1-3-10-19/h1-13,15-16H,14,26H2
InChIKeyRKSKZCDAQVXCIB-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.70
Rot. Bonds1

About 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine

10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine (PubChem CID 166778824) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine.

Molecular Properties

Compound Name10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine
PubChem CID166778824
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine
SMILESNN1c2ccccc2Cc2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C25H19N3/c26-28-22-12-6-4-8-17(22)14-18-15-25-21(16-24(18)28)20-11-5-7-13-23(20)27(25)19-9-2-1-3-10-19/h1-13,15-16H,14,26H2
InChIKeyRKSKZCDAQVXCIB-UHFFFAOYSA-N
XLogP5.70
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine?
The IUPAC name of 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine (CID 166778824) is 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine.
What is the SMILES notation for 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine?
The canonical SMILES for 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine is NN1c2ccccc2Cc2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine?
The InChIKey is RKSKZCDAQVXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c26-28-22-12-6-4-8-17(22)14-18-15-25-21(16-24(18)28)20-11-5-7-13-23(20)27(25)19-9-2-1-3-10-19/h1-13,15-16H,14,26H2.
What are the key properties of 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine?
10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine has a molecular weight of 361.45 g/mol, XLogP of 5.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine is sourced from PubChem (CID 166778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).